(E)-3-(2-chloro-6-fluorophenyl)-N-(2-chloropyridin-3-yl)prop-2-enamide
Formula:C14H9N2OCl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-(2-chloropyridin-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-(2-chloropyridin-3-yl)prop-2-enamide |
| MolecularFormula | C14H9N2OCl2F |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)Nc1cccnc1Cl |
| InChI | InChI=1S/C14H9Cl2FN2O/c15-10-3-1-4-11(17)9(10)6-7-13(20)19-12-5-2-8-18-14(12)16/h1-8H,(H,19,20) |
| InChIK | VOGHHOLWUMGDRM-UHFFFAOYSA-N |
| TotalMolweight | 311.142 |
| Molweight | 311.142 |
| MonoisotopicMass | 310.007595 |
| CLogP | 3.5456 |
| CLogS | -4.252 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 224.68 |
| Relative PSA | 0.15787 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -1.7029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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